{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9057064 0.9841759 -2.2811382 ] [ -1.1206369 -0.1462336 -0.8068036 ] [ -1.4929244 -0.469207 -2.0686401 ] [ -0.3196609 2.7363809 2.6397161 ] [ 1.1385474 -1.1014332 0.983902 ] [ 0.660393 -1.6251369 -1.0810296 ] [ -1.2028872 0.2614835 -0.3451065 ] [ -0.5685374 -0.6400297 2.9590999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.655454860988934e-09 1.576823617734799e-09 -3.654786292853795e-09 ] [ -1.795458241585788e-09 -2.342920550954189e-10 -1.292641865497275e-09 ] [ -2.391928570301867e-09 -7.517524857157056e-10 -3.314326805069374e-09 ] [ -5.121532205638868e-10 4.384165503583663e-09 4.229291420969355e-09 ] [ 1.824154025952626e-09 -1.764690522412931e-09 1.576384781558362e-09 ] [ 1.058066225139974e-09 -2.603756346779388e-09 -1.732000351512776e-09 ] [ -1.927237749299574e-09 4.189427504249568e-10 -5.529215659861151e-10 ] [ -9.108973303304178e-10 -1.025440621957638e-09 4.741000678391618e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.464422 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.682026779858518e-18 } }